Figure 2: Structure, spin-density map and SOMO of 1·+.
From: Isolation and reversible dimerization of a selenium–selenium three-electron σ-bond
(a,b) 50% ellipsoid drawings of 1·+ with different views. Yellow, carbon; red, selenium; white, hydrogen. Selected bond length (Å) and angle (°): Se1–C17 1.915(2), Se1–C27 1.896(2), Se2–C24 1.923(2), Se2–C33 1.909(2), Se1–Se2 2.942(1), C17–Se1–C27 100.65(10), C24–Se2–C33 100.13(10). (c,d) Spin-density map (c) and SOMO (d) for 1·+ calculated at the UPBE0/SVP level.
